SCHEMBL16712902

SCHEMBL16712902

CC(C)(C)OC(=O)Nc1cnc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.43
ATR Q13535 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BRD9 Q9H8M2 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29870494 0.84 ATR (0.44) ATRBRD9RXFP1MAPKAPK2
SCHEMBL535674 0.84 ATR (0.44) ATRBRD9RXFP1MAPKAPK2
SCHEMBL16702486 0.83 MAPT (0.47) TP53MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL14905357 0.82 ATR (0.44) ATRBRD9RXFP1MAPKAPK2
SCHEMBL2770021 0.81 ATR (0.55) ATRMAPTALDH1A1LMNARXFP1
SCHEMBL30083665 0.81 ATR (0.55) ATRMAPTALDH1A1LMNARXFP1
SCHEMBL19849280 0.80 PPARG (0.39) TP53MAPTGAAALDH1A1LMNA
SCHEMBL18126653 0.80 KDM4C (0.52) ATRBRD9
SCHEMBL17131177 0.80 BRD9 (0.47) ATRALDH1A1LMNASMN1; SMN2BRD9
SCHEMBL16712898 0.80 ATR (0.42) ATRRXFP1MAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP TP53 1949/4885ATR 1781/4885MAPT 90/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.